Hexane → HCID 76556320, compound

HRID 150536Notes

Reaction equation

HRID 150536 reaction equation
[Br:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([CH2:11][C:12]#[N:13])[cH:10]2.[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH3:19][CH2:20][O:21][C:22]([CH3:23])=[O:24].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH:14]([CH3:15])([CH2:16][CH3:17])[NH2:18]>>[c:2]1([NH:18][CH:14]([CH3:15])[CH2:16][CH3:17])[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([CH2:11][C:12]#[N:13])[cH:10]2

Participants

6

Reactant 5

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 24874Sec-ButylamineHCID 312751,4-DioxaneHCID 57527187HCID 57527187, compound

Product 1

HCID 76556320HCID 76556320, compound

Sources & evidence

ORD record
ord-f31f5dd299474befb4ce9113343253c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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